@MOLECULE ungiminorine 42 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9012 1.9058 -1.3762 O.3 1 UNL111111111 -0.5554 2 O 3.0486 1.1852 1.4714 O.3 1 UNL111111111 -0.3799 3 O 3.2000 0.6358 -2.0606 O.3 1 UNL111111111 -0.5512 4 O -4.1395 1.6941 -0.3101 O.3 1 UNL111111111 -0.3424 5 O -4.9662 -0.4810 0.0739 O.3 1 UNL111111111 -0.3457 6 N 0.7171 -2.3120 -0.2820 N.3 1 UNL111111111 -0.4251 7 C 1.1672 -0.9275 -0.6144 C.3 1 UNL111111111 0.0519 8 C 0.5835 0.1694 0.3106 C.3 1 UNL111111111 -0.2141 9 C 1.1868 1.5313 -0.0564 C.3 1 UNL111111111 0.1268 10 C 2.6688 -0.9292 -0.4415 C.2 1 UNL111111111 -0.0818 11 C 2.7301 1.5018 0.1301 C.3 1 UNL111111111 -0.0161 12 C 3.3896 0.3454 -0.6795 C.3 1 UNL111111111 0.1266 13 C -0.9019 0.0416 0.2356 C.ar 1 UNL111111111 -0.0097 14 C 1.9342 -3.0623 0.1716 C.3 1 UNL111111111 -0.1196 15 C -0.3978 -2.3592 0.6961 C.3 1 UNL111111111 -0.1103 16 C 3.0999 -2.1149 0.0019 C.2 1 UNL111111111 -0.1724 17 C -1.3913 -1.2563 0.4390 C.ar 1 UNL111111111 -0.0325 18 C -1.7561 1.1211 -0.0437 C.ar 1 UNL111111111 -0.1795 19 C -2.7662 -1.5434 0.4062 C.ar 1 UNL111111111 -0.1952 20 C -3.0990 0.8286 -0.0696 C.ar 1 UNL111111111 0.1246 21 C -3.5942 -0.4749 0.1570 C.ar 1 UNL111111111 0.1234 22 C 2.9820 2.2899 2.3543 C.3 1 UNL111111111 -0.1972 23 C -5.3317 0.8820 -0.2367 C.3 1 UNL111111111 0.1584 24 H 0.8637 -0.7499 -1.6780 H 1 UNL111111111 0.1781 25 H 0.9048 -0.0484 1.3698 H 1 UNL111111111 0.1772 26 H 0.7276 2.3485 0.5450 H 1 UNL111111111 0.1461 27 H 3.1665 2.4769 -0.1704 H 1 UNL111111111 0.1352 28 H 4.4773 0.2754 -0.4591 H 1 UNL111111111 0.1374 29 H 2.0276 -3.9428 -0.5038 H 1 UNL111111111 0.1618 30 H 1.8649 -3.4415 1.2080 H 1 UNL111111111 0.1328 31 H -0.0523 -2.2945 1.7547 H 1 UNL111111111 0.1288 32 H -0.8711 -3.3622 0.5694 H 1 UNL111111111 0.1560 33 H 4.0995 -2.4254 0.2330 H 1 UNL111111111 0.1568 34 H -1.3752 2.1169 -0.2571 H 1 UNL111111111 0.1904 35 H -3.1500 -2.5453 0.5582 H 1 UNL111111111 0.1740 36 H 1.4158 1.3501 -2.0097 H 1 UNL111111111 0.3446 37 H 3.7971 1.3568 -2.3477 H 1 UNL111111111 0.3204 38 H 1.9638 2.6865 2.4156 H 1 UNL111111111 0.1288 39 H 3.6915 3.0704 2.0648 H 1 UNL111111111 0.1229 40 H 3.2752 1.8468 3.3156 H 1 UNL111111111 0.1487 41 H -5.8023 0.8853 -1.2294 H 1 UNL111111111 0.1398 42 H -5.9444 1.2610 0.5921 H 1 UNL111111111 0.1366 @BOND 1 1 9 1 2 1 36 1 3 2 11 1 4 2 22 1 5 3 12 1 6 3 37 1 7 4 20 1 8 4 23 1 9 5 21 1 10 5 23 1 11 6 7 1 12 6 14 1 13 6 15 1 14 7 8 1 15 7 10 1 16 7 24 1 17 8 9 1 18 8 13 1 19 8 25 1 20 9 11 1 21 9 26 1 22 10 12 1 23 10 16 2 24 11 12 1 25 11 27 1 26 12 28 1 27 13 17 ar 28 13 18 ar 29 14 16 1 30 14 29 1 31 14 30 1 32 15 17 1 33 15 31 1 34 15 32 1 35 16 33 1 36 17 19 ar 37 18 20 ar 38 18 34 1 39 19 21 ar 40 19 35 1 41 20 21 ar 42 22 38 1 43 22 39 1 44 22 40 1 45 23 41 1 46 23 42 1